SCHEMBL3728753

SCHEMBL3728753

CC(C)(C)[Si](C)(C)OCCn1ccc(Nc2cc(Cl)nn3c(C(=O)Nc4ccncc4F)cnc23)n1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 9/20 0.34
▸ PDE4D Q08499 4/20 0.34
▸ IKBKE Q14164 1/20 0.31
▸ TBK1 Q9UHD2 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ ATR Q13535 1/20 0.31
▸ IRAK4 Q9NWZ3 1/20 0.30
▸ RET P07949 1/20 0.30
▸ KDR P35968 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13013512 0.89 TGFBR1 (0.32) IKBKETBK1
SCHEMBL3774212 0.83 ATR (0.38) TYK2PDE4DNPC1RAB9ASMN1; SMN2
SCHEMBL3724344 0.79 TYK2 (0.36) TYK2PDE4DATR
SCHEMBL3719904 0.78 MEN1 (0.40) TYK2NPC1RAB9ASMN1; SMN2
SCHEMBL3720274 0.78 TYK2 (0.40) TYK2PDE4DNPC1RAB9ASMN1; SMN2
SCHEMBL3722959 0.77 TYK2 (0.33) TYK2PDE4DNPC1RAB9ASMN1; SMN2
SCHEMBL3720955 0.76 TYK2 (0.38) TYK2PDE4DATR
SCHEMBL12012902 0.76 CSNK2A2 (0.30) —
SCHEMBL2358715 0.76 CSNK2A2 (0.33) IRAK4
SCHEMBL13745067 0.76 TYK2 (0.34) TYK2PDE4DRAB9ASMN1; SMN2ATR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2240488-B1 SUBSTITUTED IMIDAZOPYRIDAZINES USEFUL AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-11-02 — — EP disclosed
US-8389527-B2 Substituted imidazopyridazines useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-03-05 — — US disclosed
US-8389527-B2 Substituted imidazopyridazines useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-03-05 — — US disclosed
US-20100323994-A1 SUBSTITUTED IMIDAZOPYRIDAZINES USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2010-12-23 — — US disclosed
EP-2240488-A1 SUBSTITUTED IMIDAZOPYRIDAZINES USEFUL AS KINASE INHIBITORS Bristol-Myers Squibb Company (US) 2010-10-20 — — EP disclosed
WO-2009100375-A1 SUBSTITUTED IMIDAZOPYRIDAZINES USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-08-13 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100323994-A1 SUBSTITUTED IMIDAZOPYRIDAZINES USEFUL AS KINASE INHIBITORS MAP3K5, MAP4K2, MAP3K15 TYK2 289/4885PDE4D 1378/4885IKBKE 57/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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